Basic information
- CAS
82808-82-0- Standard SMILES
COc1cc2c(cc1OC)C1=[N+](CC2)CC(c2ccc(Br)cc2)=Nc2cc(Cl)ccc21.[Br-]- InChIKey
PBJLPNSUMIXPGV-UHFFFAOYSA-M- Molecular formula
- C25H21Br2ClN2O2
- Average molar mass
- 576.7 g/mol
- Monoisotopic mass
- 573.96583
Names & identifiers
- Preferred name
- 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(p-bromophenyl)-3-chloro-12,13-dimethoxy-, bromide
- IUPAC
- 6-(4-bromophenyl)-3-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
- English name
- 7H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 9,10-DIHYDRO-6-(p-BROMOPHE NYL)-3-CHL
- Molecular formula
- C25H21Br2ClN2O2
- Molecular weight
- 576.70744
Names & synonyms
82808-82-07H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(p-bromophenyl)-3-chloro-12,13-dimethoxy-, bromideRefChem:3114197H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 9,10-DIHYDRO-6-(p-BROMOPHE NYL)-3-CHL
Database identifiers
- CAS
82808-82-0- PubChem CID
- 54923
- DTXSID
DTXSID301002921
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 720
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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